LMFA03110351
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    5.9234   -5.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -5.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1341   -5.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2392   -5.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3444   -5.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4495   -5.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547   -5.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3401   -5.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2350   -5.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830   -5.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7866   -4.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2114   -3.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2525   -4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443   -3.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5489   -4.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6781   -3.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8068   -4.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9356   -3.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644   -4.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -3.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3219   -4.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -2.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5378   -2.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762   -6.4802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6781   -2.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13  9  1  0     0  0
 13 14  1  6     0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1     0  0
 12 23  1  6     0  0
 10 24  1  6     0  0
 21 14  2  0  0  0  0
 16 25  2  0     0  0
M  END
> <LM_ID>
LMFA03110351

> <COMMON_NAME>
8,12-iso-iPF3alpha-VI

> <SYSTEMATIC_NAME>
(E,5S)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-5-hydroxyhept-6-enoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HWROLEQXRBQBTL-QHKWHNBMSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b4-3-,7-6-,13-12+/t15-,16-,17+,18+,19-/m0/s1

> <SMILES>
CC/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11681868

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
18804370

$$$$